June 2015 - Molecuilder-devel

[SCM] branch Candidate_v1.4.11 deleted. v1.4.10-45-g8a83d57
by git＠ins.uni-bonn.de 23 Jun '15

23 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, Candidate_v1.4.11 has been deleted was 8a83d57ddb0c534c7541b6e6ca36f69fbdb6257f - Log ----------------------------------------------------------------- 8a83d57ddb0c534c7541b6e6ca36f69fbdb6257f Set version to 1.4.11. ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch SeparatingOutQtThreads created. v1.4.10-151-g0312e23
by git＠ins.uni-bonn.de 18 Jun '15

18 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, SeparatingOutQtThreads has been created at 0312e2354381e345b8509d9898560703d82ee90a (commit) - Log ----------------------------------------------------------------- commit 0312e2354381e345b8509d9898560703d82ee90a Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 03:58:12 2015 +0200 tempcommit: Fixes to ActionQueue. Merge with 85d6396e commit 9c9df11556737d29a82e1a1277f89b90b17db9fb Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 03:53:44 2015 +0200 FIX: createGuiChecks can handle multi-lines. - also we reduce verbosity by default. - redid all GuiCheck test scripts. commit 81e16f2e4caa917357195e371372440b06cda3ce Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 03:53:26 2015 +0200 tempcommit: Trying to fix MakroAction's outputAsPython(). commit 70a5d45f6149e0e84a6c006a2fb596ecf38ee02c Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 03:32:03 2015 +0200 FIX: QtMoleculeListView caused Command to be executed when selection changed internally. - we check via selecting but change is propagated via emit. Now we use DirectConnection. commit 9b45d73a2d2248ad6809d20dd26fc517d8958b36 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 03:24:00 2015 +0200 FIX: GLWorldView must not listen to moleculeRemoved but to its subjectKilled. - atoms of a molecule a removed after moleculeRemoved which only gives a prior note about the removal. Then, we are flooded with atomRemoved for each of its atom which go into MoleculeMissedStateMap and pop up when a same-id molecule is instantiated, causing assert failures. commit 16e19e268e1ad1704eddd2bdda78ed2495a76d9d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 03:23:10 2015 +0200 tempcommit: Fixes to GLWorldScene/View w.r.t. MoleculeMissedStateMap. commit 85d6396e8fcb865db8682c30f6f784751c40112b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 02:56:26 2015 +0200 FIX: ActionQueue::isIdle() states whether actions are executed or not. - QtUIFactory uses this to wait till test running next action. commit a986e0aade340029e655abfb95199d2d855562e0 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 02:43:15 2015 +0200 tempcommit: QtTimeLine needs DirectConnection. commit 1e1ca86824b1a12b7e16bb8dbb2a5de3dc24e543 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 02:42:44 2015 +0200 FIX: Cuboid_impl::getNormal() did not take numerical imprecision into account. commit ef2088a6433ebb723bdda9b3ccf6cc88be54def3 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 01:42:13 2015 +0200 FIX: QtTimeLine would cause another WorldSetTime action. - we did not catch where setValue() was called from, from an obtained Observable update() or from changing the slider. commit f39bd7b352b67634c1bd5e2dc6e9bb808cfb7156 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 01:41:07 2015 +0200 FIX: QtElementList now uses new updateElement(). - old refill() polls complete list of atoms of specific type in the moment an atom is destroyed ... now we only get informed about newly created atoms (safe) and changing elements (also safe). commit 1a5c53c499d6fa4717a6efe302e3a3e283bd2342 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 01:40:40 2015 +0200 tempcommit: THREAD_BOUNCER change commit da26034e22ef024e4f92421bcfc79d8a5b5c86b6 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 01:40:23 2015 +0200 tempcommit: Changes to QDebugStream, to no avail. commit a19377e652d285ebcfd83e10a501c470a7907af5 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 01:40:06 2015 +0200 tempcommit: Changes to QtMoleculeList mutex usage. commit 88c7eb48d0c3d1517234b97cafd7cb1e773e295d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 01:39:28 2015 +0200 TEMP: Removed QtLogBox for the moment. - ever and again causes SEGFAULT at QDebugStream::61 (QTextEdit::append()). commit b812fcf938a98a6c8e66717f9bb58b3709dcfc7b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 00:09:45 2015 +0200 cleanUp() overwrites threadid as there we trigger lots of Observables. commit 2f860f8500be2daab4a5d3695b0f2a7ccdaf96a8 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 00:09:25 2015 +0200 tempcommit: QtHomologyList::needsRefill() uses QueuedConnection. commit eec6fd48ce5a64813dca05f78029bbc4accd800a Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 00:09:10 2015 +0200 Added QMutex to QtElementList for refill(). commit 5950531d074e0a39394fddbe9343df656c012159 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 00:08:27 2015 +0200 tempcommit: GLWorldScene and View use DirectConnection for acting on inserted molecules. - this should let this signal pass through right away with little delay. commit 6b62ab6eae7b3bb0833c4e36d0e2bd169a3023ca Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 00:07:56 2015 +0200 tempcommit: QTUIFactory::testrun() waits till UI is done initializing. commit 6c8da4f23ba9d5622fdb91c093248e581fda7201 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 00:07:40 2015 +0200 tempcommit: Fix to THREAD_BOUNCEr. commit 69cec0aea0fa1a1116386518fadb77df2e820b32 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 00:06:29 2015 +0200 tempcommit: Fixes to QtMoleculeItem. - all QtMoleculeItems signOn to molecule::AboutToBeRemoved. - getMolecule() may return NULL, is caught at two places. - getMoleculeId() for allowing QtMoleculeList to acess molid. commit 3343be024125ac82ba567222c3e68a1237e90ced Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 23:35:20 2015 +0200 FIX: QtMoleculeItem did not access getMolecule() from World as const. - this triggered an update in the World. commit 64dcb92dab022c3a8678f0b235a487ccfd65b7f0 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 23:35:04 2015 +0200 tempcommit: Deactivated THREAD_BOUNDER, only .._VIP active. commit 7efd69375a557e74b040101627716da68741e4f7 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 23:34:46 2015 +0200 tempcommit: Further THREAD_BOUNcER fixes. commit 45736c64442252050628d0e5bb5fa61273c56694 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 23:33:30 2015 +0200 tempcommit: FIX: QDebugStream is now thread-safe. Merge with <QTextCursor registering> - also Fix to QTextCursor not registered. commit 2cda9e5eccd4912ab2e57624bbee9188526eb183 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 23:21:42 2015 +0200 tempcommit: Fixing ObservedMolecules complaining about missing molecule. Merge with ... - we get one subjectKilled per channel! commit 3f3feb76057456c7372a4bf14a5494cebfdbd00d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 20:32:37 2015 +0200 DROPME: Added THREAD_BOUNDER and .._VIP everywhere. commit 4ce6318731c8aebedd419f362437b0c3e9ae19ea Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 20:10:59 2015 +0200 tempcommit: Merge with f2129a4 commit 6e278aa9d97103a742a70671dbd9c3b4167cc661 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 19:27:25 2015 +0200 Added ThreadGuard include in every Qt module. commit f2129a4044e7428a570f6dcb83de4a72fde459f3 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 19:15:04 2015 +0200 Storing the id of the main thread in static global variable. - this is preparatory for thread guard to be used in the context of Qt. commit 0708ac1c1694fdb01b4060dd01c069080333c0f5 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 19:02:27 2015 +0200 FIX: GLWorldView::recieveNotification() is checking for whether molecule actually exists still. commit 20173d899dfe873ab99c679f30a5aedf403d945b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 19:01:51 2015 +0200 DROPME: Making sense out of why subjectKilled goes to wrong observer. commit ab3323811e53c46d541bf31b43d63aeb735eee64 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 19:01:13 2015 +0200 FIX: GLWorldView was signed in to atomInserted and atomRemoved without any need. commit 61f6eb3f850e9ee1e78df1896f5a67246e98860b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 19:00:55 2015 +0200 FIX: GLWorldScene did not initialize SelectionMode properly. commit 497876e9730b36a0844b68e26cfd0eb342e55171 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 18:59:19 2015 +0200 Extracted signing on to molecule into activateObserver. - is called by GLWorldScene after all "missed" signals have been emitted. commit 634622679668fadca2d997160aaf00da82e9f754 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 18:58:32 2015 +0200 tempcommit: Attempt at fixing QTextCursor not registered error. commit c1a3fdc492d04cde685082208acb969a0e3a0dcc Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 16 20:37:07 2015 +0200 QtInfoBox updates information on update signal. commit fb3ff0d970b1edbf90b1ad9e3c3d4681040ce519 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 15 23:01:44 2015 +0200 tempcommit: Taking note of subscribed molecules to sign Off on GLWorldView's destruct. commit 750e6bfb879681b62fe1c092d7bf7fde04f28c54 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 15 23:01:19 2015 +0200 tempcommit: Fixing atomicNumber_t atomicId_t in atomRemoved and atomInserted. commit 00a4670cf6c8929ac6da73af4ceb29aea78aa41f Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 11 09:33:58 2015 +0200 FIX: GLWorldScene/View capture all missed signals for each GLMoleculeObject_molecule. commit 78d5dad6dfbcae9f1f8be551956919aad589597e Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 8 19:05:01 2015 +0200 Removed GLMoleculeObject_molecule's init() and reinit(). - also removed InitAtomMap and associated code. - removed changeAtomId slot/signal in GLWorldScene. commit f6efee1791b105055db281150be732dcaff08464 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 8 18:27:25 2015 +0200 tempcommit: Merge with 9e859c19 commit 04a74e50838356c9bbdb18c94de78610452c7442 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 8 18:26:34 2015 +0200 UIs are now initialized before any action takes place. - UIFactory::doneInitializing() is set after mainwindow is instantiated. commit 6eabab62aaeb92f03ecf56bc34206e2fd3a30462 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 19:19:49 2015 +0200 Revert "tempcommit: Attempt on fixing the asynchronous handling of signal/slot and observer/observable systems in GLMoleculeObject_molecule." This reverts commit 5888dcffe918e3788a2e25fe116597943cff6cec. commit 5888dcffe918e3788a2e25fe116597943cff6cec Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 19:11:51 2015 +0200 tempcommit: Attempt on fixing the asynchronous handling of signal/slot and observer/observable systems in GLMoleculeObject_molecule. commit df9b6859b1d0b312539d3fae9d5402640d31bb14 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 19:11:15 2015 +0200 Removed lots of code in GLWorldScene that now resides in GLMoleculeObject_molecule. - atoms and their bonds are now controlled by the latter. commit 16006dbeb16f74c42c8d29d8ba6497af7bfc1282 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 19:10:49 2015 +0200 FIX: GLMoleculeObject_molecule was not informed of atom index change. commit f302731d0890e3dee562d9972a71a32f3470cedb Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 14:54:00 2015 +0200 Revert "FIX: GLMoleculeObject_molecule::init() is now a slot." This reverts commit 11313115aa28c8de65d26aa5cba377547126f6b5. commit b4bfa7037399a6e7be88c8c983b57873c23fadb5 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 14:53:38 2015 +0200 tempcommit: Merge with 8acec5c6 commit f1162b71de76b98015a439aa6a92db7774a52580 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 14:45:20 2015 +0200 tempcommit: QtElementList does not have a changed() signal. Merge with ... commit 11313115aa28c8de65d26aa5cba377547126f6b5 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 14:44:22 2015 +0200 FIX: GLMoleculeObject_molecule::init() is now a slot. - this should fix non-causality of signal/slot with observer-related signals, i.e. atomRemoved may get in before the atom has been instantiated within init(). commit d2a3e6168da7375b33b28c6c9d1cc1e4a700ac32 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 13:23:35 2015 +0200 FIX: QtInfoBox now works mostly on ids. - slots are requested as ..Id_t and not as ptrs anymore for some time. commit 3a852aefbeca35371e57a6c1bcd4c569e01d7adf Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 13:23:24 2015 +0200 tempcommit: Merge with 8acec5c6 commit 95e7efa17499e5c2fd508f0052e35890112385dc Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 12:43:49 2015 +0200 tempcommit: molecule's Formula is not changed when atom changes element. commit 8acec5c66a90d043870fea994a212285bf1153af Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 12:41:40 2015 +0200 FIX: GLMoleculeObject_molecule() may overlap with atomInserted() signal. - this is because GLMoleculeObject_molecule takes some time till init() is called and its runs in a separate thread (hence, further atoms may be loaded into the just created atoms). As we first signOn() and then call init(), we may end up initializing atoms whose atomInserted signal then also comes in but lateron. This causes the AtomsInSceneMap to have double entries and the assertion to fail. We now keep book of all atomic ids inserted during init() and these are ok to appear doubly and their signal is skipped. commit f82b1b9c5919a6428a0ada2e891e5a3220cc77f5 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 10:52:11 2015 +0200 Converted FormatParser::save() to using vector of const atom ptrs. - required to change all save() functions in all parsers. commit 6308b5c267220cd45e610b5d5f98a8c3c727bae1 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 10:32:10 2015 +0200 Replaced all World::getSelected...() to const version where possible. - also added const version of World::getSelectedAtoms(). commit e425c3f8e807861c3ff09b9bde415c9ad6deab81 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 22:14:10 2015 +0200 tempcommit: AtomIdSet changes hiccup. commit 4517da28262baee58762721a801aa598498e4884 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 22:13:27 2015 +0200 tempcommit: World::getSelectedMolecules() changes hiccup. - why did this actually change? commit e973bf4445d3cfe90893f0191eb601beb39b1fae Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 22:13:04 2015 +0200 tempcommit: ParserXyZUnitTest hiccup. commit 04cd84a317a6a256f270906b4e3eb423a14e9444 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 22:01:53 2015 +0200 tempcommit: MoleculeDescriptorUnitTest hiccup. commit a1777369e1ab75c4d5c05e128dbd722a80d20e72 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 22:01:31 2015 +0200 tempcommit: Change associated to TremoloParser. commit 310a571cdd564f17170ff98a6667b8f723b460e7 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 22:01:08 2015 +0200 tempcommit: More ConstAtomComposite hiccup. commit 6357a7781590d2a371a8e839caf53da98a880056 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:55:38 2015 +0200 tempcommit: Forgot Makefile.am change in AtomNameDescriptor adding. commit be9f02462ecccd27bc5ae8a5143c1d23eb63e029 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:54:36 2015 +0200 tempcommit: PdbParser change hiccup. commit 8d69856c8f974617deef515ad8b0dcdbc80dd458 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:54:23 2015 +0200 tempcommit: Value_atom changes hiccups. commit ffdc50797acf2e252d63930d6c79568d3369b423 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:54:07 2015 +0200 tempcommit: ConstAtomComposite change hiccups. commit 6221a31dc4c1159fa8263a27cfe8e537d0b5287d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:53:40 2015 +0200 tempcommit: molecule::const_iterator problems (due to FromIdToConstAtom). commit 6a3ca760b4092aa67b57ffe88f745eff843fd5db Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:23:21 2015 +0200 tempcommit: Probably due to changes to get..Molecule..() commit 111c4b44ee95848dfcca88188fcbfbf19c4894a6 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:16:32 2015 +0200 tempcommit: Merge possibly with 20f88fee commit ed3a55ff2e70dc044ae10fb3c9954620430b5d6f Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:16:02 2015 +0200 Replaced World::getAllAtoms() by const version where possible. commit 30e530076bcc6a5a2f000648b93d15970c7ba78d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 18:57:36 2015 +0200 Replaced World::getAtom() wherever possible by const version. - some AtomSet member functions now have const atom ptr instead of atom ptr. - molecule can return const and non-const AtomSet. - added FromIdToConstAtom to allow iterate through atoms in molecule (which are stored by id, not by ptr) in const fashion. - in molecule::isInMolecule() is now const, ::CopyMolecule..() is non-const (because copying involves father atom who is stored non-const). commit 20f88fee951e0f0975e03dab347bb29f38bb8832 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 10:56:36 2015 +0200 Replaced World::getAllMolecules() wherever possible by const version. commit 565777c816ad145911eda994458c07fa9adb3ea3 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 10:48:35 2015 +0200 Replaced getMolecule() by const access version where possible. - so far this is done done via const_casting the World. commit f73a348113c0d657d8f53d1d478e30555dfaf4cc Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 10:30:56 2015 +0200 World::getAtoms() now has const versions as well. - this in turn required to adapt all AtomDescriptors and some fixes, e.g. predicate is now const member and works on const atom ptr. commit c8320fe241f4c1c68f30b7b1fbcc521bee3060d6 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 09:42:19 2015 +0200 tempcommit: DOCU: Corrected userguide. - this still needs some more work, e.g. w.r.t to code snippets indentation. commit 5dabe20d14db77a7f638c6fce075e81d038cc2aa Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 09:42:00 2015 +0200 World::getMolecules..() now has const versions as well. - this required to adapt all MoleculeDescriptors accordingly. commit daadba6cd9e872a5628db5a17075fd72a6960fe0 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 09:22:29 2015 +0200 atom::getMolecule() now returns ptr to const molecule. - changed some places where getMolecule() was used. Most of them required only const access anyway. World is allowed to const'cast the constness away as it commands over molecules anyway. commit 0c326f15463110db89fdf2110b2aaafc868e5faa Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun May 31 18:01:34 2015 +0200 Molecule has new channel FormulaChanged used by specific QtMoleculeItem. commit 2054e6b36d8608258d6d67b0a929c6ab2aaf41e8 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun May 31 18:00:52 2015 +0200 tempcommit: Attempt to replace QtElementList::refill() by faster system. - this is not finished or tested as it is incompatible right now right refill(). commit 200da30b5cbf895becc7c8b64685706c7a729fbf Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun May 31 17:59:56 2015 +0200 FIX: Neither World nor MoleculeListClass do not sign on to molecule changes. commit 4fee79b8c5ecdb10388059db8ed19fe83f2a5ba7 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun May 31 17:09:31 2015 +0200 QtElementList now listens to AtomObserver and not MoleculeListClass anymore. ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch MolecuilderGuiTestSuite created. v1.4.10-39-g08d042d
by git＠ins.uni-bonn.de 12 Jun '15

12 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, MolecuilderGuiTestSuite has been created at 08d042d999587b9169fbb5763d93a65241a1cf4f (commit) - Log ----------------------------------------------------------------- ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch MolecuilderGuiTestSuite deleted. v1.4.10-39-g80b555f
by git＠ins.uni-bonn.de 12 Jun '15

12 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, MolecuilderGuiTestSuite has been deleted was 80b555f2762e4c07533b77c414b36bce168fb47e - Log ----------------------------------------------------------------- 80b555f2762e4c07533b77c414b36bce168fb47e Added "--testsingle" switch for line-by-line execution. ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch Candidate_v1.4.11 created. v1.4.10-45-g8a83d57
by git＠ins.uni-bonn.de 12 Jun '15

12 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, Candidate_v1.4.11 has been created at 8a83d57ddb0c534c7541b6e6ca36f69fbdb6257f (commit) - Log ----------------------------------------------------------------- commit 8a83d57ddb0c534c7541b6e6ca36f69fbdb6257f Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sat May 23 21:23:35 2015 +0200 Set version to 1.4.11. - MoleCuilder library is now 14:3:1. - Codename "Soccer" (It is one for all and all for one football). commit 3fa16b482f696edb18618700ef768e366d06813c Merge: 08d042d 19dfdf7 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 12 15:27:22 2015 +0200 Merge branch 'GUI_niceties' into Candidate_v1.4.11 commit 08d042d999587b9169fbb5763d93a65241a1cf4f Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun May 17 09:34:31 2015 +0200 Added "--testsingle" switch for line-by-line execution. - QTUIFactory checks for additional "single" and activates then a special mode which uses the newly split executePythonScript. commit 37a67f216a1ec48288bc1b314c99cfb0d6cb6963 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun May 17 15:50:53 2015 +0200 Replaced Query.. class and query..() function declarations in Dialog.. by boost preprocessor magic. - this removes a lot of copy&paste code. commit 0435989b70a2b793f218705f1cf498471af2bdd2 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun May 17 06:24:19 2015 +0200 Replaced all std::string by ParameterPair where used as ("key = value;") tuples. - this fixes an issue with vectors of key-value-pairs converted into a single string for use in a python command. commit 33e80133683ce15eb991faac6abc6d540afee182 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun May 17 06:22:43 2015 +0200 Added ParameterPair (i.e. "key = value;") to allow other string output. - this will solve the problem of vectors of key-value-pairs not properly converted into a single string because of missing semicolon. - FIX: toCLIString used functions toPythonString if possible. commit dd6c07d2c5d563c8e46c0a4b01a0de11563eb584 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri May 15 10:22:40 2015 +0200 Added all new guichecks regression tests generated from createGuiChecks.sh script. commit fae462dafc0b0506501581e2bccedaef6813450d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri May 15 10:03:03 2015 +0200 Added script file to generate guichecks testsuite from regression tests. - options-no-elements.db and options-empty-configs works with faulty arguments. This cannot be replicated with molecuildergui. - all load- and store-sessions removed due to (then) multiply occurrences of said action (we need store-session to create the script for molecuildergui). - dry-run will not cause errors, hence error code of script creation call must always be 0. - refreshes TESTSCRIPTS variable in Makefile.am. commit f3db6059ff3cc60a56408536bc8c419fc809da01 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri May 15 09:12:44 2015 +0200 Added DryRun and NoDryRun actions. - actions (un)set a flag inside ActionQueue to which only those permitted by an advocate pattern have access. - added testsuite tests for both dry-run, no-dry-run, and storing sessions. - explained use of action in userguide. commit 0907ad2590d5fe8b17e1ee653a60c21f3b4e11d0 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed May 13 22:24:48 2015 +0200 Added GuiCheck "AddAtoms". commit 0f0407ad8f57ba8adda5a1059fe7125b8aaa5b92 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed May 13 21:49:52 2015 +0200 Added testsuite "GuiChecks" with extra target guicheck. - this allows starting the testsuite on the graphical interface. - checks for working testlauncher inside molecuildergui with single and multiple scripts. commit 15e1978cca9c4568b8ac921a0fee1cac72517d81 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed May 13 20:20:52 2015 +0200 Command-line arguments are passed to QApplication inside QtUIFactory. commit 3054689a58736f5438fa03886a4337356078607b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed May 13 20:17:55 2015 +0200 Added "--test"-mode to UI switch in builder_init. - this will allow to launch molecuildergui with a set of scripts to execute. ----------------------------------------------------------------------- hooks/post-receive --

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